Browsing by Author "9343e972-cb01-4b08-a64e-21e5926b262d"
Now showing items 1-6 of 6
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Becke's virial exciton model gives accurate charge-transfer excitation energies
Feng, Xibo; Becke, Axel; Johnson, Erin (American Institute of Physics, 2018) -
Computational Modeling of Piezochromism in Molecular Crystals
Feng, Xibo; Becke, Axel D.; Johnson, Erin R. (American Institute of Physics, 2020-06-15) -
Computational Modeling of Piezochromism in Molecular Crystals
Feng, Xibo; Becke, Axel D.; Johnson, Erin R. (2020-05-19) -
The effect of electronic excitation on London dispersion
Feng, Xibo; Otero de la Roza, Alberto; Johnson, Erin (NRC Research Press, 2018) -
A Novel Theoretical Approach to Model Electronic Excitations in Molecular Crystals
Feng, Xibo (2021-08-12)Photon-induced electronic excitation of organic chromophores in molecular crystals has received much attention due to potential applications in organic electronics, optics, and biomedicine. Theoretical modeling can aid our ... -
Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals
Feng, Xibo; Becke, Axel D.; Johnson, Erin R. (Royal Society of Chemistry, 2021-05-18)